Conditions Extrêmes et Matériaux: Haute Température et Irradiation - CEMHTI
The laboratory Conditions Extrêmes et Matériaux: Haute Température et Irradiation (CEMTHI, UPR3079-CNRS) is a research laboratory of the Insitute of Chemistry (INC) of CNRS settled in Orleans in contract with the University of Orléans. It hosts two national facilities for High Resolution Solid-State and High Temperature NMR
(TGIR RMN THC FR3050) and for studies of materials under irradiation (EMIR). The main objective of CEMHTI is to analyze the physico-chemical properties of advanced materials at different length and time scales under extreme conditions of high temperature or irradiation to understand their structure and behaviors. The laboratory is composed of about 120 people whose activities involve numerous academic and industrial collaborations (local, national, European and international).
The role of CEMHTI will be to offer bridges between solid-state NMR experiments, numerical models, and structural information to the Materials Science community by contributing to the development, validating, and exploiting the visualization and code integration tools of the ExaViz platform to improve the molecular-level understanding of complex materials. The visualization interface will be the center of a platform of interoperability between the different numerical approaches for solid-state NMR of materials. These include the simulations of complex NMR experiments and calculations of NMR parameters from quantum chemistry, which the group of Dominique Massiot has large expertise in using in combination with the experiment [FLO09][CAD09a-c][CAD11][FAY11]. The last class of numerical simulations is the modeling of experimental spectra, with the code DMfit developed at CEMHTI [MAS02], which has a large community (over 1500) of registered users, and whose reference paper is currently the 6th best cited paper (over 850 citations) in the field of engineering in the last ten years (ISI Web of Science, Essential Science Indicators).
